6-chlorocyclopenta[c]pyran

C8H5ClO — CID 91426010

IUPAC6-chlorocyclopenta[c]pyran
SMILESClc1cc2ccocc-2c1
InChIInChI=1S/C8H5ClO/c9-8-3-6-1-2-10-5-7(6)4-8/h1-5H
InChIKeyKJRXPDZDWSKCJX-UHFFFAOYSA-N
MW152.58 g/mol
LogP3.04
Rot. Bonds

About 6-chlorocyclopenta[c]pyran

6-chlorocyclopenta[c]pyran (PubChem CID 91426010) has the molecular formula C8H5ClO and a molecular weight of 152.58 g/mol. Its IUPAC name is 6-chlorocyclopenta[c]pyran.

Molecular Properties

Compound Name6-chlorocyclopenta[c]pyran
PubChem CID91426010
Molecular FormulaC8H5ClO
Molecular Weight152.58 g/mol
Exact Mass152.00
IUPAC Name6-chlorocyclopenta[c]pyran
SMILESClc1cc2ccocc-2c1
InChIInChI=1S/C8H5ClO/c9-8-3-6-1-2-10-5-7(6)4-8/h1-5H
InChIKeyKJRXPDZDWSKCJX-UHFFFAOYSA-N
XLogP3.04
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chlorocyclopenta[c]pyran?
The IUPAC name of 6-chlorocyclopenta[c]pyran (CID 91426010) is 6-chlorocyclopenta[c]pyran.
What is the SMILES notation for 6-chlorocyclopenta[c]pyran?
The canonical SMILES for 6-chlorocyclopenta[c]pyran is Clc1cc2ccocc-2c1.
What is the InChIKey of 6-chlorocyclopenta[c]pyran?
The InChIKey is KJRXPDZDWSKCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClO/c9-8-3-6-1-2-10-5-7(6)4-8/h1-5H.
What are the key properties of 6-chlorocyclopenta[c]pyran?
6-chlorocyclopenta[c]pyran has a molecular weight of 152.58 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorocyclopenta[c]pyran is sourced from PubChem (CID 91426010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).